DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL244008_dpp4

Atoms: 243
Models: 9
Best Energy: -6.901 kcal/mol

Binding Energies:
  • Pose 1: -6.901 kcal/mol
  • Pose 2: -6.824 kcal/mol
  • Pose 3: -6.753 kcal/mol
  • Pose 4: -6.736 kcal/mol
  • Pose 5: -6.705 kcal/mol
  • Pose 6: -6.654 kcal/mol
  • Pose 7: -6.526 kcal/mol
  • Pose 8: -6.448 kcal/mol
  • Pose 9: -6.436 kcal/mol
CHEMBL244008_dpp4
Energy Plot
RMSD Scatter Plot